CID 3036820

Bulaquina

Structural Information

Molecular Formula
C21H27N3O3
SMILES
CC(CCCN/C(=C/1\CCOC1=O)/C)NC2=C3C(=CC(=C2)OC)C=CC=N3
InChI
InChI=1S/C21H27N3O3/c1-14(6-4-9-22-15(2)18-8-11-27-21(18)25)24-19-13-17(26-3)12-16-7-5-10-23-20(16)19/h5,7,10,12-14,22,24H,4,6,8-9,11H2,1-3H3/b18-15+
InChIKey
ADCOUXIGWFEYJP-OBGWFSINSA-N
Compound name
(3E)-3-[1-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]ethylidene]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

137
Patents

369.20523 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.21251 191.2
[M+Na]+ 392.19445 194.6
[M-H]- 368.19795 197.1
[M+NH4]+ 387.23905 202.5
[M+K]+ 408.16839 191.5
[M+H-H2O]+ 352.20249 182.0
[M+HCOO]- 414.20343 209.5
[M+CH3COO]- 428.21908 223.3
[M+Na-2H]- 390.17990 191.4
[M]+ 369.20468 191.8
[M]- 369.20578 191.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.